Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4092155

FC(F)(F)c1cccc(-c2ccn(-c3ccnc4[nH]ccc34)n2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.46
KMO O15229 2/20 0.44
BRAF P15056 4/20 0.43
KDR P35968 2/20 0.43
MAPK14 Q16539 2/20 0.43
TNNI3K Q59H18 2/20 0.43
MET P08581 1/20 0.42
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PRKCI P41743 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FYN P06241 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL98946 0.93 KDM4E (0.41) CAPN1KMOBRAFKDRMAPK14
Trifluoroacetic Acid SCHEMBL4088295 0.89 PRKCI (0.41) CAPN1BRAFKDRMETCYP2D6
Trifluoroacetic Acid SCHEMBL4082497 0.86 GRM5 (0.48) METPRKCI
Trifluoroacetic Acid SCHEMBL4087911 0.86 CYP2D6 (0.43) BRAFMETCYP2D6CYP2C9ROCK2
Trifluoroacetic Acid SCHEMBL4086536 0.85 SMN1; SMN2 (0.39) METPRKCIALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL4092178 0.84 MAPK14 (0.41) CAPN1KDRMAPK14METPRKCI
Trifluoroacetic Acid SCHEMBL4093205 0.83 AKT1 (0.43) CAPN1KDRMETPRKCINPC1
Trifluoroacetic Acid SCHEMBL4097114 0.82 CTSA (0.36) CAPN1BRAFKDRMAPK14TNNI3K
SCHEMBL4088298 0.81 BRAF (0.39) BRAFKDRMAPK14TNNI3KMET
Trifluoroacetic Acid SCHEMBL4092015 0.81 JAK3 (0.44) BRAFCYP2D6CYP2C9ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CAPN1 4026/4885KMO 62/4885BRAF 51/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CAPN1 4026/4885KMO 62/4885BRAF 51/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.